N-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide

C22H16Cl2N4O — CID 16652236

IUPACN-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
SMILESCc1ccc(-c2cnnn2-c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1
InChIInChI=1S/C22H16Cl2N4O/c1-14-2-4-15(5-3-14)21-13-25-27-28(21)18-9-6-16(7-10-18)22(29)26-20-12-17(23)8-11-19(20)24/h2-13H,1H3,(H,26,29)
InChIKeyRFFZITSNHLSWNF-UHFFFAOYSA-N
MW423.30 g/mol
LogP5.80
Rot. Bonds4

About N-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide

N-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide (PubChem CID 16652236) has the molecular formula C22H16Cl2N4O and a molecular weight of 423.30 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
PubChem CID16652236
Molecular FormulaC22H16Cl2N4O
Molecular Weight423.30 g/mol
Exact Mass422.07
IUPAC NameN-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
SMILESCc1ccc(-c2cnnn2-c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1
InChIInChI=1S/C22H16Cl2N4O/c1-14-2-4-15(5-3-14)21-13-25-27-28(21)18-9-6-16(7-10-18)22(29)26-20-12-17(23)8-11-19(20)24/h2-13H,1H3,(H,26,29)
InChIKeyRFFZITSNHLSWNF-UHFFFAOYSA-N
XLogP5.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.30
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2,5-dichlorophenyl)benzamide
CID 16652383
N-(4-chlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652238
4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide
CID 16652373
N-(4-chloro-3-methylphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652321
N-(4-chlorophenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652313
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(3-fluorophenyl)benzamide
CID 16652390
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-ethyl-6-methylphenyl)benzamide
CID 16652420
N-(2-ethyl-6-methylphenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide
CID 16652280
4-[5-(4-chlorophenyl)triazol-1-yl]-N-prop-2-enylbenzamide
CID 16652430
4-[5-(4-chlorophenyl)triazol-1-yl]-N-(2-phenylethyl)benzamide
CID 16652416
N-(2,5-dichlorophenyl)-5-(methoxymethyl)-1-(4-methylphenyl)triazole-4-carboxamide
CID 16651608
N-(2,5-dimethoxyphenyl)-4-[5-(4-fluorophenyl)triazol-1-yl]benzamide
CID 16652343

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide (CID 16652236) is N-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide is Cc1ccc(-c2cnnn2-c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide?
The InChIKey is RFFZITSNHLSWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16Cl2N4O/c1-14-2-4-15(5-3-14)21-13-25-27-28(21)18-9-6-16(7-10-18)22(29)26-20-12-17(23)8-11-19(20)24/h2-13H,1H3,(H,26,29).
What are the key properties of N-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide?
N-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide has a molecular weight of 423.30 g/mol, XLogP of 5.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-[5-(4-methylphenyl)triazol-1-yl]benzamide is sourced from PubChem (CID 16652236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).